1-ethyl-3-(furan-2-ylmethyl)thiourea

C8H12N2OS — CID 920377

IUPAC1-ethyl-3-(furan-2-ylmethyl)thiourea
SMILESCCNC(=S)NCc1ccco1
InChIInChI=1S/C8H12N2OS/c1-2-9-8(12)10-6-7-4-3-5-11-7/h3-5H,2,6H2,1H3,(H2,9,10,12)
InChIKeyZYQFILHNAJSISM-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.26
Rot. Bonds3

About 1-ethyl-3-(furan-2-ylmethyl)thiourea

1-ethyl-3-(furan-2-ylmethyl)thiourea (PubChem CID 920377) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-ethyl-3-(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(furan-2-ylmethyl)thiourea
PubChem CID920377
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1-ethyl-3-(furan-2-ylmethyl)thiourea
SMILESCCNC(=S)NCc1ccco1
InChIInChI=1S/C8H12N2OS/c1-2-9-8(12)10-6-7-4-3-5-11-7/h3-5H,2,6H2,1H3,(H2,9,10,12)
InChIKeyZYQFILHNAJSISM-UHFFFAOYSA-N
XLogP1.26
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(furan-2-ylmethyl)thiourea?
The IUPAC name of 1-ethyl-3-(furan-2-ylmethyl)thiourea (CID 920377) is 1-ethyl-3-(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 1-ethyl-3-(furan-2-ylmethyl)thiourea?
The canonical SMILES for 1-ethyl-3-(furan-2-ylmethyl)thiourea is CCNC(=S)NCc1ccco1.
What is the InChIKey of 1-ethyl-3-(furan-2-ylmethyl)thiourea?
The InChIKey is ZYQFILHNAJSISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-9-8(12)10-6-7-4-3-5-11-7/h3-5H,2,6H2,1H3,(H2,9,10,12).
What are the key properties of 1-ethyl-3-(furan-2-ylmethyl)thiourea?
1-ethyl-3-(furan-2-ylmethyl)thiourea has a molecular weight of 184.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 920377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).